2-fluoranyl-N-[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[[4-methoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[[4-methoxy-3-(trifluoromethyl)phenyl]thiocarbamoylamino]phenyl]benzamide Formula: C22H17F4N3O2S MolecularWeight: 463.447893

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F)C(F)(F)F

InChI

InChI=1S/C22H17F4N3O2S/c1-31-19-11-10-15(12-17(19)22(24,25)26)29-21(32)28-14-8-6-13(7-9-14)27-20(30)16-4-2-3-5-18(16)23/h2-12H,1H3,(H,27,30)(H2,28,29,32)